2-(3-piperidin-1-ylsulfonylphenyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,3,4-oxadiazole

Systemtic Name: 2-(3-piperidin-1-ylsulfonylphenyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,3,4-oxadiazole Openeye Name: 2-[3-(1-piperidylsulfonyl)phenyl]-5-[2-(4-pyridyl)ethylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-[3-(1-piperidinylsulfonyl)phenyl]-5-(2-pyridin-4-ylethylthio)-1,3,4-oxadiazole IUPAC Name: 2-(3-piperidin-1-ylsulfonylphenyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,3,4-oxadiazole Traditional Name: 2-(3-piperidinosulfonylphenyl)-5-[2-(4-pyridyl)ethylthio]-1,3,4-oxadiazole Formula: C20H22N4O3S2 MolecularWeight: 430.54368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCCC4=CC=NC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCCC4=CC=NC=C4

InChI

InChI=1S/C20H22N4O3S2/c25-29(26,24-12-2-1-3-13-24)18-6-4-5-17(15-18)19-22-23-20(27-19)28-14-9-16-7-10-21-11-8-16/h4-8,10-11,15H,1-3,9,12-14H2